capsiconiate

Properties Image MNX_ID MNXM16520 reference metacycM:CPD-10356 formula C20H28O4 global charge 0 mol weight 332.44 InChIKey ZEWSMOFWZCBFSU-OAMUUVBCSA-N InChI InChI=1S/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+ SMILES COC1=C(O)C=CC(/C=C/COC(=O)CCCC/C=C/C(C)C)=C1 MNX internals InChI (mnx) InChI=1/C20H28O4/c1-16(2)9-6-4-5-7-11-20(22)24-14-8-10-17-12-13-18(21)19(15-17)23-3/h6,8-10,12-13,15-16,21H,4-5,7,11,14H2,1-3H3/b9-6+,10-8+ SMILES (mnx) [CH3:1][CH:16]([CH3:2])/[CH:9]=[CH:6]/[CH2:4][CH2:5][CH2:7][CH2:11][C:20](=[O:22])[O:24][CH2:14]/[CH:8]=[CH:10]/[C:17]1=[CH:15][C:19]([O:23][CH3:3])=[C:18]([OH:21])[CH:13]=[CH:12]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 1 in models (compartimentalized) 0